UCSF

ZINC00363860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 -3.1 -9.48 1 3 0 46 235.308 3
Hi High (pH 8-9.5) 2.71 -2.6 -40.22 0 3 -1 48 234.3 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )